cycloheptadec-9-en-1-one

C17H30O — CID 10954

IUPACcycloheptadec-9-en-1-one
SMILESO=C1CCCCCCCC=CCCCCCCC1
InChIInChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2
InChIKeyZKVZSBSZTMPBQR-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.59
Rot. Bonds

About cycloheptadec-9-en-1-one

cycloheptadec-9-en-1-one (PubChem CID 10954) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is cycloheptadec-9-en-1-one.

Molecular Properties

Compound Namecycloheptadec-9-en-1-one
PubChem CID10954
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Namecycloheptadec-9-en-1-one
SMILESO=C1CCCCCCCC=CCCCCCCC1
InChIInChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2
InChIKeyZKVZSBSZTMPBQR-UHFFFAOYSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cycloheptadec-9-en-1-one?
The IUPAC name of cycloheptadec-9-en-1-one (CID 10954) is cycloheptadec-9-en-1-one.
What is the SMILES notation for cycloheptadec-9-en-1-one?
The canonical SMILES for cycloheptadec-9-en-1-one is O=C1CCCCCCCC=CCCCCCCC1.
What is the InChIKey of cycloheptadec-9-en-1-one?
The InChIKey is ZKVZSBSZTMPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2.
What are the key properties of cycloheptadec-9-en-1-one?
cycloheptadec-9-en-1-one has a molecular weight of 250.43 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptadec-9-en-1-one is sourced from PubChem (CID 10954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).